CID 77225

1,1-diethoxybutane

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CCCC(OCC)OCC

InChI

InChI=1S/C8H18O2/c1-4-7-8(9-5-2)10-6-3/h8H,4-7H2,1-3H3

InChIKey

UVHXZFGCCJLFMX-UHFFFAOYSA-N

Compound name

1,1-diethoxybutane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 552
Patents: 146.13068 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	147.13796	133.1
[M+Na]+	169.11990	143.0
[M+NH4]+	164.16450	141.0
[M+K]+	185.09384	137.5
[M-H]-	145.12340	132.5
[M+Na-2H]-	167.10535	136.5
[M]+	146.13013	134.2
[M]-	146.13123	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe